| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDK2 | CDK2_HUMAN | 2V22A | P24941 | 1 | 296 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.4591 | 15.4924 | BLAminus | -132.44, 178.14 | 60.5, 75.27 | -95.35, 22.95 | 275.6, 72.86 | -49.4, -38.54 | in-in | in | 8.5762 | Saltbr-in | 2.7801 | HRD-in | -76.19, -55.04 | 83.89, -15.21 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8884 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oioi | APE10-dihe-na | -86.69, 68.29 | APE9-dihe-na | -152.82, 33.68 | APE8-dihe-out | 63.56, 145.92 | APE8-rot-out | 217.61 | APE67-dihe-in | -67.06, -9.7 | -100.44, -48.4 | APE12-dist-out | 14.8646 | APE11-dist-in | 11.5794 | APE10-dist-out | 9.334 | APE9-dist-in | 5.2801 | None | None | None | XRAY | 2.6 | 0.174 | 0.277 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2v22 | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2V22C | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3314 | 15.4786 | BLAminus | -146.83, 177.32 | 52.95, 76.41 | -87.8, 21.74 | 277.38, 65.05 | -51.11, -39.67 | in-in | in | 8.4737 | Saltbr-in | 3.4321 | HRD-in | -64.56, -46.03 | 68.73, -15.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.857 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oioi | APE10-dihe-na | -107.38, 80.17 | APE9-dihe-na | -132.24, 155.09 | APE8-dihe-in | -62.03, 145.84 | APE8-rot-out | 167.13 | APE67-dihe-in | -60.96, -28.05 | -89.82, -49.35 | APE12-dist-out | 15.4191 | APE11-dist-in | 10.0333 | APE10-dist-out | 9.2702 | APE9-dist-in | 5.7258 | None | None | None | XRAY | 2.6 | 0.174 | 0.277 | C | 298.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2v22 | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDK2 | CDK2_HUMAN | 2V22A | P24941 | 1 | 296 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.4591 | 15.4924 | BLAminus | -132.44, 178.14 | 60.5, 75.27 | -95.35, 22.95 | 275.6, 72.86 | -49.4, -38.54 | in-in | in | 8.5762 | Saltbr-in | 2.7801 | HRD-in | -76.19, -55.04 | 83.89, -15.21 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8884 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oioi | APE10-dihe-na | -86.69, 68.29 | APE9-dihe-na | -152.82, 33.68 | APE8-dihe-out | 63.56, 145.92 | APE8-rot-out | 217.61 | APE67-dihe-in | -67.06, -9.7 | -100.44, -48.4 | APE12-dist-out | 14.8646 | APE11-dist-in | 11.5794 | APE10-dist-out | 9.334 | APE9-dist-in | 5.2801 | None | None | None | XRAY | 2.6 | 0.174 | 0.277 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2v22 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2V22C | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3314 | 15.4786 | BLAminus | -146.83, 177.32 | 52.95, 76.41 | -87.8, 21.74 | 277.38, 65.05 | -51.11, -39.67 | in-in | in | 8.4737 | Saltbr-in | 3.4321 | HRD-in | -64.56, -46.03 | 68.73, -15.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.857 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oioi | APE10-dihe-na | -107.38, 80.17 | APE9-dihe-na | -132.24, 155.09 | APE8-dihe-in | -62.03, 145.84 | APE8-rot-out | 167.13 | APE67-dihe-in | -60.96, -28.05 | -89.82, -49.35 | APE12-dist-out | 15.4191 | APE11-dist-in | 10.0333 | APE10-dist-out | 9.2702 | APE9-dist-in | 5.7258 | None | None | None | XRAY | 2.6 | 0.174 | 0.277 | C | 298.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2v22 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|